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Piperazine-1-carboxylic acid, 4-(2,5-diethoxybenzenesulfonyl)-, ethyl ester
SpectraBase Compound ID LKu3jfIzWV7
InChI InChI=1S/C17H26N2O6S/c1-4-23-14-7-8-15(24-5-2)16(13-14)26(21,22)19-11-9-18(10-12-19)17(20)25-6-3/h7-8,13H,4-6,9-12H2,1-3H3
InChIKey SCHBSNYXCWYCGH-UHFFFAOYSA-N
Mol Weight 386.46 g/mol
Molecular Formula C17H26N2O6S
Exact Mass 386.151158 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AzUqQ9pHLlA
Name Piperazine-1-carboxylic acid, 4-(2,5-diethoxybenzenesulfonyl)-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 386.151157733 u
Formula C17H26N2O6S
InChI InChI=1S/C17H26N2O6S/c1-4-23-14-7-8-15(24-5-2)16(13-14)26(21,22)19-11-9-18(10-12-19)17(20)25-6-3/h7-8,13H,4-6,9-12H2,1-3H3
InChIKey SCHBSNYXCWYCGH-UHFFFAOYSA-N
Molecular Weight 386.463 g/mol
SMILES C1CN(CCN1S(C1=CC(OCC)=CC=C1OCC)(=O)=O)C(=O)OCC